Home > Compound List > Compound details
426825-75-4 molecular structure
click picture or here to close

6-iodoimidazo[1,2-a]pyridine

ChemBase ID: 42242
Molecular Formular: C7H5IN2
Molecular Mass: 244.03247
Monoisotopic Mass: 243.94974617
SMILES and InChIs

SMILES:
n12c(ncc2)ccc(c1)I
Canonical SMILES:
Ic1ccc2n(c1)ccn2
InChI:
InChI=1S/C7H5IN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
InChIKey:
ZYXOOFUOEJPQKM-UHFFFAOYSA-N

Cite this record

CBID:42242 http://www.chembase.cn/molecule-42242.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodoimidazo[1,2-a]pyridine
IUPAC Traditional name
6-iodoimidazo[1,2-a]pyridine
Synonyms
6-Iodoimidazo[1,2-a]pyridine
CAS Number
426825-75-4
MDL Number
MFCD06200985
PubChem SID
162047005
PubChem CID
2764327

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.89200115  LogD (pH = 7.4) 1.636632 
Log P 1.6884938  Molar Refractivity 49.2989 cm3
Polarizability 18.487122 Å3 Polar Surface Area 17.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
130 - 131 °C expand Show data source
130-131°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
> 95% expand Show data source
>95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle